TL;DR: N-[(4-nitrophenyl)methylideneamino]aniline (CAS 1656990-26-9) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-nitrophenyl)methylideneamino]aniline
Also Known As: Maybridge1_005048, NCIOpen2_003896, N-[(4-nitrophenyl)methylideneamino]aniline, p-nitrobenzaldehyde phenylhydrazone, 4-Nitro-benzaldehyd-phenylhydrazon
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.08513 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.08513 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | C1=CC=C(C=C1)NN=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IXMQSJMHAYPXSV-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that N-[(4-nitrophenyl)methylideneamino]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-nitrophenyl)methylideneamino]aniline. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)methylideneamino]aniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(4-nitrophenyl)methylideneamino]aniline is 1656990-26-9.
The molecular formula of N-[(4-nitrophenyl)methylideneamino]aniline is C13H11N3O2.
The molecular weight of N-[(4-nitrophenyl)methylideneamino]aniline is 241.08513 g/mol.
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